Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(Cc1c(ccc(c1)c2cnc3ncc(cc23)c4ccccc4)C(O)=O)C |
InChI | InChI | 1.03 | InChI=1S/C24H22N2O2/c1-15(2)10-18-11-17(8-9-20(18)24(27)28)22-14-26-23-21(22)12-19(13-25-23)16-6-4-3-5-7-16/h3-9,11-15H,10H2,1-2H3,(H,25,26)(H,27,28) |
InChIKey | InChI | 1.03 | PGBYHFSGSTUFFN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Cc1cc(ccc1C(O)=O)c2c[nH]c3ncc(cc23)c4ccccc4 |
SMILES | CACTVS | 3.385 | CC(C)Cc1cc(ccc1C(O)=O)c2c[nH]c3ncc(cc23)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)Cc1cc(ccc1C(=O)O)c2c[nH]c3c2cc(cn3)c4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)Cc1cc(ccc1C(=O)O)c2c[nH]c3c2cc(cn3)c4ccccc4 |